Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)- structure

Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)-

(9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-piperidin-1-ylpropyl)-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol

Also Known As: (17R,21-alpha)-17,21-Dihydroxy-4-(2-hydroxy-3-piperidinopropyl)ajmalanium|Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)-

CAS: 47739-41-3
Molecular Formula C28H42N3O3+
Molecular Weight 468.32263 g/mol
LogP 2.1
Topological Polar Surface Area 67.2 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 468.32263
Monoisotopic Mass 468.32263
Heavy Atoms 34
Complexity 806.0

Chemical Identifiers

CAS Number 47739-41-3
SMILES CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC(CN7CCCCC7)O)O
InChIKey PBXKNIPBIUGHOK-CLSINGCFSA-N

Product Overview

Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)- (CAS 47739-41-3), with molecular formula C28H42N3O3+ and molecular weight 468.32263 g/mol. IUPAC: (9R,10S,13S,14R,16S,18R)-13-ethyl-15-(2-hydroxy-3-piperidin-1-ylpropyl)-8-methyl-8-aza-15-azoniahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-14,18-diol.

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Ajmalanium, 17,21-dihydroxy-4-(2-hydroxy-3-piperidinopropyl)-, (17R,21-alpha)- is a custom synthesis product. We offer services from milligram to kilogram scale.

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